CID 198572

Nsc 374351

Structural Information

Molecular Formula
C12H18N2O2S2
SMILES
CC1=C(SC(=N1)SC)C(=O)CCN2CCOCC2
InChI
InChI=1S/C12H18N2O2S2/c1-9-11(18-12(13-9)17-2)10(15)3-4-14-5-7-16-8-6-14/h3-8H2,1-2H3
InChIKey
FLHSWSIYYRPSBS-UHFFFAOYSA-N
Compound name
1-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-3-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.08096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08824 162.4
[M+Na]+ 309.07018 169.6
[M-H]- 285.07368 166.6
[M+NH4]+ 304.11478 177.0
[M+K]+ 325.04412 166.7
[M+H-H2O]+ 269.07822 155.8
[M+HCOO]- 331.07916 170.1
[M+CH3COO]- 345.09481 196.9
[M+Na-2H]- 307.05563 159.3
[M]+ 286.08041 164.6
[M]- 286.08151 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.